[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-2-propenoic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)acrylic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)C=CC1=NC2=CC=CC=C2O1

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)OC(=O)/C=C/C1=NC2=CC=CC=C2O1

InChI

InChI=1S/C19H21N3O4/c1-12(2)19(4,11-20)22-18(24)13(3)25-17(23)10-9-16-21-14-7-5-6-8-15(14)26-16/h5-10,12-13H,1-4H3,(H,22,24)/b10-9+